(3-carbamoyl-1,2-oxazol-5-yl)methyl N-(azepan-4-yl)carbamate

C12H18N4O4 — CID 66661027

IUPAC(3-carbamoyl-1,2-oxazol-5-yl)methyl N-(azepan-4-yl)carbamate
SMILESNC(=O)c1cc(COC(=O)NC2CCCNCC2)on1
InChIInChI=1S/C12H18N4O4/c13-11(17)10-6-9(20-16-10)7-19-12(18)15-8-2-1-4-14-5-3-8/h6,8,14H,1-5,7H2,(H2,13,17)(H,15,18)
InChIKeyKOVRRLSBVLSEIV-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.14
Rot. Bonds4

About (3-carbamoyl-1,2-oxazol-5-yl)methyl N-(azepan-4-yl)carbamate

(3-carbamoyl-1,2-oxazol-5-yl)methyl N-(azepan-4-yl)carbamate (PubChem CID 66661027) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is (3-carbamoyl-1,2-oxazol-5-yl)methyl N-(azepan-4-yl)carbamate.

Molecular Properties

Compound Name(3-carbamoyl-1,2-oxazol-5-yl)methyl N-(azepan-4-yl)carbamate
PubChem CID66661027
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name(3-carbamoyl-1,2-oxazol-5-yl)methyl N-(azepan-4-yl)carbamate
SMILESNC(=O)c1cc(COC(=O)NC2CCCNCC2)on1
InChIInChI=1S/C12H18N4O4/c13-11(17)10-6-9(20-16-10)7-19-12(18)15-8-2-1-4-14-5-3-8/h6,8,14H,1-5,7H2,(H2,13,17)(H,15,18)
InChIKeyKOVRRLSBVLSEIV-UHFFFAOYSA-N
XLogP0.14
TPSA119.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-carbamoyl-1,2-oxazol-5-yl)methyl N-(azepan-4-yl)carbamate?
The IUPAC name of (3-carbamoyl-1,2-oxazol-5-yl)methyl N-(azepan-4-yl)carbamate (CID 66661027) is (3-carbamoyl-1,2-oxazol-5-yl)methyl N-(azepan-4-yl)carbamate.
What is the SMILES notation for (3-carbamoyl-1,2-oxazol-5-yl)methyl N-(azepan-4-yl)carbamate?
The canonical SMILES for (3-carbamoyl-1,2-oxazol-5-yl)methyl N-(azepan-4-yl)carbamate is NC(=O)c1cc(COC(=O)NC2CCCNCC2)on1.
What is the InChIKey of (3-carbamoyl-1,2-oxazol-5-yl)methyl N-(azepan-4-yl)carbamate?
The InChIKey is KOVRRLSBVLSEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c13-11(17)10-6-9(20-16-10)7-19-12(18)15-8-2-1-4-14-5-3-8/h6,8,14H,1-5,7H2,(H2,13,17)(H,15,18).
What are the key properties of (3-carbamoyl-1,2-oxazol-5-yl)methyl N-(azepan-4-yl)carbamate?
(3-carbamoyl-1,2-oxazol-5-yl)methyl N-(azepan-4-yl)carbamate has a molecular weight of 282.30 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoyl-1,2-oxazol-5-yl)methyl N-(azepan-4-yl)carbamate is sourced from PubChem (CID 66661027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).